2-(6-azanyl-3,5-dicyano-4-thiophen-2-yl-pyridin-1-ium-2-yl)sulfanyl-N-(phenylmethyl)ethanamide

Systemtic Name: 2-(6-azanyl-3,5-dicyano-4-thiophen-2-yl-pyridin-1-ium-2-yl)sulfanyl-N-(phenylmethyl)ethanamide Openeye Name: 2-[6-amino-3,5-dicyano-4-(2-thienyl)pyridin-1-ium-2-yl]sulfanyl-N-benzyl-acetamide CAS Name: 2-[(6-amino-3,5-dicyano-4-thiophen-2-yl-2-pyridin-1-iumyl)thio]-N-(phenylmethyl)acetamide IUPAC Name: 2-(6-amino-3,5-dicyano-4-thiophen-2-ylpyridin-1-ium-2-yl)sulfanyl-N-benzylacetamide Traditional Name: 2-[[6-amino-3,5-dicyano-4-(2-thienyl)pyridin-1-ium-2-yl]thio]-N-benzyl-acetamide Formula: C20H16N5OS2+ MolecularWeight: 406.50394

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)CSC2=C(C(=C(C(=[NH+]2)N)C#N)C3=CC=CS3)C#N

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)CSC2=C(C(=C(C(=[NH+]2)N)C#N)C3=CC=CS3)C#N

InChI

InChI=1S/C20H15N5OS2/c21-9-14-18(16-7-4-8-27-16)15(10-22)20(25-19(14)23)28-12-17(26)24-11-13-5-2-1-3-6-13/h1-8H,11-12H2,(H2,23,25)(H,24,26)/p+1